Basic information
- CAS
655-15-2- Standard SMILES
O=C(CBr)c1ccccc1F- InChIKey
QDNWNJSLWKHNTM-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO
- Average molar mass
- 217.03 g/mol
- Monoisotopic mass
- 215.95860513
Names & identifiers
- Preferred name
- 2-Bromo-2'-fluoroacetophenone
- IUPAC
- 2-bromo-1-(2-fluorophenyl)ethanone
- English name
- 2-Bromo-2'-fluoroacetophenone
- Molecular formula
- C8H6BrFO
- Molecular weight
- 217.04
Names & synonyms
655-15-22-Bromo-2'-fluoroacetophenone2-Bromo-1-(2-fluorophenyl)ethanoneDTXSID40372071RefChem:466122DTXCID40323104691-184-72-Fluorophenacyl bromide2-bromo-1-(2-fluorophenyl)ethan-1-oneMFCD00278796Ethanone, 2-bromo-1-(2-fluorophenyl)-2-Fluorophenacylbromide
Show more names
ω-BroMo-2Vonoprazan-030BUTTPARK 35\01-51TAK438 Impurity 83Vonoprazan Impurity 832-Fluorophenacylbromide98%Vonolazan fumarate impurity
SCHEMBL166429STL1318782-Bromo-2 inverted exclamation mark -fluoroacetophenoneB5104O-FLUOROPHENACYL BROMIDEBCP28127AM11222-Bromo-2'-fluoroac
Database identifiers
- CAS
655-15-2- PubChem CID
- 2737449
- DTXSID
DTXSID40372071- UNII
- G4MHR335NC
- EC Number
- 691-184-7
- Nikkaji
- J1.374.664H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 25 · 25-27
- Boiling point
- 83 · 83-85
- Density
- 1.574 g/mL · 1.574 g/mL at 25 °C
- refractive index
- 20 · n20/D1.563
- Flash point
- 110 °C · >110 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Sensitive
- Lachrymatory
- Stability
- Unstable in DMSO
- InChI
- 1S/C8H6BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
- InChIKey
- QDNWNJSLWKHNTM-UHFFFAOYSA-N
- SMILES
- Fc1ccccc1C(=O)CBr
- CAS DataBase Reference
- 655 · 655-15-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGIII
- hs_code
- 2914790090
- risk_code
- 36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory/Keep Cold
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesA new class of acetophenone-based cinchona alkaloid-derived quaternary ammonium salts were prepared and evaluated as phase-transfer catalysts in the enantioselective alkylation of glycine imine ester.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
37 records
Compound notes
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